Geometry & MOs

Info

ID:	18206
PubChem CID:	538909
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-165.07
Dipole, Da:	2.97
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3,3-trimethyl-5,6-dioxo-2-bicyclo[2.2.1]heptanyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C2CC1(C(=O)C2=O)C)(C)C

DOS

IR

Vibrations